7-DEAZAGUANINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H6N4O
Molecular Weight	150.138
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

NC1=NC2=C(C=CN2)C(=O)N1

InChI

InChIKey=OLAFFPNXVJANFR-UHFFFAOYSA-N

InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)

HIDE SMILES / InChI

Molecular Formula	C6H6N4O
Molecular Weight	150.138
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Show entries

Title	Date	PubMed
Structure-activity relationships for the binding of ligands to xanthine or guanine phosphoribosyl-transferase from Toxoplasma gondii.	1995 Nov 9	7503772
Oxidation of 7-deazaguanine by one-electron and oxo-transfer oxidants: mismatch-dependent electrochemistry and selective strand scission.	2001 Mar 26	11261981
Crystal structure of archaeosine tRNA-guanine transglycosylase.	2002 May 3	12054814
Synthesis of 5-aza-7-deazaguanine nucleoside derivatives as potential anti-flavivirus agents.	2005	16248011
Generation of DNA interstrand cross-links by post-synthetic reductive amination.	2009 Feb 5	19132933

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Patents

Substance Class	Chemical
Record UNII	GPL8T5ZO3M
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

7-DEAZAGUANINE

Common Name

English

2-AMINO-3,7-DIHYDROPYRROLO(2,3-D)PYRIMIDIN-4-ONE

Preferred Name

English

NSC-62498

Code

English

4H-PYRROLO(2,3-D)PYRIMIDIN-4-ONE, 2-AMINO-1,7-DIHYDRO-

Systematic Name

English

7H-PYRROLO(2,3-D)PYRIMIDIN-4-OL, 2-AMINO-

Systematic Name

English

Showing 1 to 5 of 5 entries

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Show entries

Code System

Code

Type

Description

DRUG BANK

DB02245

PRIMARY

EPA CompTox

DTXSID30223745

PRIMARY

FDA UNII

GPL8T5ZO3M

PRIMARY

CAS

7355-55-7

PRIMARY

NSC

62498

PRIMARY

Showing 1 to 5 of 6 entries

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